4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile

C19H15N5O2 — CID 71139125

IUPAC4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
SMILESCOc1ccc(Nc2nc3ccc(C#N)cc3c3cn[nH]c23)cc1OC
InChIInChI=1S/C19H15N5O2/c1-25-16-6-4-12(8-17(16)26-2)22-19-18-14(10-21-24-18)13-7-11(9-20)3-5-15(13)23-19/h3-8,10H,1-2H3,(H,21,24)(H,22,23)
InChIKeyPBNRQQNKHXCJKJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.74
Rot. Bonds4

About 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile

4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile (PubChem CID 71139125) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
PubChem CID71139125
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
SMILESCOc1ccc(Nc2nc3ccc(C#N)cc3c3cn[nH]c23)cc1OC
InChIInChI=1S/C19H15N5O2/c1-25-16-6-4-12(8-17(16)26-2)22-19-18-14(10-21-24-18)13-7-11(9-20)3-5-15(13)23-19/h3-8,10H,1-2H3,(H,21,24)(H,22,23)
InChIKeyPBNRQQNKHXCJKJ-UHFFFAOYSA-N
XLogP3.74
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile?
The IUPAC name of 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile (CID 71139125) is 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile is COc1ccc(Nc2nc3ccc(C#N)cc3c3cn[nH]c23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile?
The InChIKey is PBNRQQNKHXCJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-25-16-6-4-12(8-17(16)26-2)22-19-18-14(10-21-24-18)13-7-11(9-20)3-5-15(13)23-19/h3-8,10H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile?
4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 71139125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).